Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester

Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester

InChI
InChI=1S/C17H22ClFO4/c1-4-5-6-7-11-22-15(20)17(2,3)16(21)23-14-12(18)9-8-10-13(14)19/h8-10H,4-7,11H2,1-3H3
InChI Key
RAIRYNXGPSMXMN-UHFFFAOYSA-N
Formula
C17H22ClFO4
SMILES
CCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
344.81
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Physical Properties

Property Value Unit Source
ΔfusH° 41.65 kJ/mol Joback Calculated Property
log10WS -5.16 Relay (1.0) Calculated Property
logPoct/wat 4.534 Crippen Calculated Property
McVol 255.520 ml/mol McGowan Calculated Property
Pc 1477.02 kPa Joback Calculated Property
Inp 2067.00 NIST
Tboil 574.48 K Relay (1.0) Calculated Property
Tfus 292.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [366.78; 804.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.74550e+01
Coefficient B1.45576e+00
Coefficient C-8.17520e-04
Coefficient D1.39100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 366.78 J/mol×K 273.00 Calculated Property
Cp,gas 446.31 J/mol×K 353.78 Calculated Property
Cp,gas 517.10 J/mol×K 434.56 Calculated Property
Cp,gas 579.59 J/mol×K 515.33 Calculated Property
Cp,gas 634.21 J/mol×K 596.11 Calculated Property
Cp,gas 681.41 J/mol×K 676.89 Calculated Property
Cp,gas 721.63 J/mol×K 757.67 Calculated Property
Cp,gas 755.31 J/mol×K 838.44 Calculated Property
Cp,gas 782.88 J/mol×K 919.22 Calculated Property
Cp,gas 804.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester.

Sources

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